N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C130H160F3N21O14 — CID 167671847

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=C1CC(C(=O)NCc2ccc(CN)cc2)N(C(=O)C(N)CCc2ccccc2)C1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4o3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NCc1ccc(CNC(=O)C2CC(F)(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(OCc3ccccc3)CN2C(=O)C(N)CCc2ccccc2)cc1
InChIInChI=1S/C30H37N5O5.C30H36N4O3.C24H30N4O2.C23H28F2N4O2.C23H29FN4O2/c1-39-23-6-4-20(5-7-23)14-21-15-26(29(37)33-18-24-16-22-17-32-11-10-27(22)40-24)35(19-21)30(38)25(31)8-9-28(36)34-12-2-3-13-34;31-18-23-11-13-24(14-12-23)19-33-29(35)28-17-26(37-21-25-9-5-2-6-10-25)20-34(28)30(36)27(32)16-15-22-7-3-1-4-8-22;1-17-13-22(23(29)27-15-20-9-7-19(14-25)8-10-20)28(16-17)24(30)21(26)12-11-18-5-3-2-4-6-18;24-23(25)12-20(21(30)28-14-18-8-6-17(13-26)7-9-18)29(15-23)22(31)19(27)11-10-16-4-2-1-3-5-16;24-19-12-21(22(29)27-14-18-8-6-17(13-25)7-9-18)28(15-19)23(30)20(26)11-10-16-4-2-1-3-5-16/h4-7,10-11,16-17,21,25-26H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,37);1-14,26-28H,15-21,31-32H2,(H,33,35);2-10,21-22H,1,11-16,25-26H2,(H,27,29);1-9,19-20H,10-15,26-27H2,(H,28,30);1-9,19-21H,10-15,25-26H2,(H,27,29)
InChIKeyUFSDUFHHWSQUPG-UHFFFAOYSA-N
MW2297.84 g/mol
LogP11.05
Rot. Bonds45

About N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 167671847) has the molecular formula C130H160F3N21O14 and a molecular weight of 2297.84 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID167671847
Molecular FormulaC130H160F3N21O14
Molecular Weight2297.84 g/mol
Exact Mass2296.24
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=C1CC(C(=O)NCc2ccc(CN)cc2)N(C(=O)C(N)CCc2ccccc2)C1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4o3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NCc1ccc(CNC(=O)C2CC(F)(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(OCc3ccccc3)CN2C(=O)C(N)CCc2ccccc2)cc1
InChIInChI=1S/C30H37N5O5.C30H36N4O3.C24H30N4O2.C23H28F2N4O2.C23H29FN4O2/c1-39-23-6-4-20(5-7-23)14-21-15-26(29(37)33-18-24-16-22-17-32-11-10-27(22)40-24)35(19-21)30(38)25(31)8-9-28(36)34-12-2-3-13-34;31-18-23-11-13-24(14-12-23)19-33-29(35)28-17-26(37-21-25-9-5-2-6-10-25)20-34(28)30(36)27(32)16-15-22-7-3-1-4-8-22;1-17-13-22(23(29)27-15-20-9-7-19(14-25)8-10-20)28(16-17)24(30)21(26)12-11-18-5-3-2-4-6-18;24-23(25)12-20(21(30)28-14-18-8-6-17(13-26)7-9-18)29(15-23)22(31)19(27)11-10-16-4-2-1-3-5-16;24-19-12-21(22(29)27-14-18-8-6-17(13-25)7-9-18)28(15-19)23(30)20(26)11-10-16-4-2-1-3-5-16/h4-7,10-11,16-17,21,25-26H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,37);1-14,26-28H,15-21,31-32H2,(H,33,35);2-10,21-22H,1,11-16,25-26H2,(H,27,29);1-9,19-20H,10-15,26-27H2,(H,28,30);1-9,19-21H,10-15,25-26H2,(H,27,29)
InChIKeyUFSDUFHHWSQUPG-UHFFFAOYSA-N
XLogP11.05
TPSA546.03 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.84
LogP ≤ 511.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 167671847) is N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is C=C1CC(C(=O)NCc2ccc(CN)cc2)N(C(=O)C(N)CCc2ccccc2)C1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4o3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NCc1ccc(CNC(=O)C2CC(F)(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(F)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(OCc3ccccc3)CN2C(=O)C(N)CCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UFSDUFHHWSQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5.C30H36N4O3.C24H30N4O2.C23H28F2N4O2.C23H29FN4O2/c1-39-23-6-4-20(5-7-23)14-21-15-26(29(37)33-18-24-16-22-17-32-11-10-27(22)40-24)35(19-21)30(38)25(31)8-9-28(36)34-12-2-3-13-34;31-18-23-11-13-24(14-12-23)19-33-29(35)28-17-26(37-21-25-9-5-2-6-10-25)20-34(28)30(36)27(32)16-15-22-7-3-1-4-8-22;1-17-13-22(23(29)27-15-20-9-7-19(14-25)8-10-20)28(16-17)24(30)21(26)12-11-18-5-3-2-4-6-18;24-23(25)12-20(21(30)28-14-18-8-6-17(13-26)7-9-18)29(15-23)22(31)19(27)11-10-16-4-2-1-3-5-16;24-19-12-21(22(29)27-14-18-8-6-17(13-25)7-9-18)28(15-19)23(30)20(26)11-10-16-4-2-1-3-5-16/h4-7,10-11,16-17,21,25-26H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,37);1-14,26-28H,15-21,31-32H2,(H,33,35);2-10,21-22H,1,11-16,25-26H2,(H,27,29);1-9,19-20H,10-15,26-27H2,(H,28,30);1-9,19-21H,10-15,25-26H2,(H,27,29).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 2297.84 g/mol, XLogP of 11.05, 45 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167671847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).